N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide

C15H19F3N2O5S2 — CID 18538427

IUPACN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H19F3N2O5S2/c1-19(2)27(24,25)13-5-3-11(4-6-13)26(22,23)12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeySLABCICOUSCKGE-UHFFFAOYSA-N
MW428.45 g/mol
LogP1.26
Rot. Bonds4

About N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide (PubChem CID 18538427) has the molecular formula C15H19F3N2O5S2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
PubChem CID18538427
Molecular FormulaC15H19F3N2O5S2
Molecular Weight428.45 g/mol
Exact Mass428.07
IUPAC NameN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H19F3N2O5S2/c1-19(2)27(24,25)13-5-3-11(4-6-13)26(22,23)12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeySLABCICOUSCKGE-UHFFFAOYSA-N
XLogP1.26
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
(4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-pentan-3-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 162365278
[(3R)-1-(4-cyclobutylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 162365368
(R)-(4,4-Difluoropiperidin-1-yl)(1-((4-(isopropylsulfonyl)phenyl)sulfonyl)piperidin-3-yl)methanone
CID 162365370
(4,4-difluoropiperidin-1-yl)-[(3R)-1-[4-(2-methylpropylsulfonyl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 162365509
[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 166634326
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone
CID 2080448
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 18105480
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 2971495
1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 4807280
ethyl (3R)-3-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 162365324
ethyl (3S)-3-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 162365345

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide (CID 18538427) is N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide?
The InChIKey is SLABCICOUSCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O5S2/c1-19(2)27(24,25)13-5-3-11(4-6-13)26(22,23)12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide has a molecular weight of 428.45 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 18538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).